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	hartrees
Energy at 0K	-439.928113
Energy at 298.15K	-439.928259
Nuclear repulsion energy	89.142183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	991	952	0.00
2	Σ_u	1450	1392	64.51
3	Π_u	263	252	69.47
3	Π_u	263	252	69.47

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.000
O2	0.000	0.000	1.520
O3	0.000	0.000	-1.520

	Si1	O2	O3
Si1		1.5197	1.5197
O2	1.5197		3.0394
O3	1.5197	3.0394

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Si	0.950	1.124	2.781	1.203
2	O	-0.475	-0.562	-1.390	-0.602
3	O	-0.475	-0.562	-1.390	-0.602

All results from a given calculation for SiO₂ (silicon dioxide)

using model chemistry: B3LYP/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	51.717
(<r²>)^1/2	7.191

All results from a given calculation for SiO2 (silicon dioxide)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for SiO₂ (silicon dioxide)